CID 18001

Acetic acid, 2,2-diphenyl-2-methoxy-, (2-(n-sec-butyl-n-ethylamino)ethyl) ester, hydrochloride

Structural Information

Molecular Formula
C23H31NO3
SMILES
CCC(C)N(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC
InChI
InChI=1S/C23H31NO3/c1-5-19(3)24(6-2)17-18-27-22(25)23(26-4,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19H,5-6,17-18H2,1-4H3
InChIKey
YVQUKBRQFOVDES-UHFFFAOYSA-N
Compound name
2-[butan-2-yl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.2304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.237676 194.0
[M+Na]+ 392.219618 195.8
[M-H]- 368.223124 200.4
[M+NH4]+ 387.264223 205.7
[M+K]+ 408.193558 193.9
[M+H-H2O]+ 352.227660 184.6
[M+HCOO]- 414.228601 214.0
[M+CH3COO]- 428.244251 223.7
[M+Na-2H]- 390.205066 195.3
[M]+ 369.22985142 198.4
[M]- 369.23094858 198.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.